Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide
TL;DR: Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide (CAS 31383-03-6) is a chemical compound with molecular formula C15H11N3O2 and molecular weight 265.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide
Also Known As: N- isoquinolin-2-ium-2-amineanion, 2-[(3-nitrophenyl)azanidyl]isoquinolin-2-ium, N-(3-Nitrophenyl)isoquinolin-2-ium-2-amine anion
| Molecular Formula | C15H11N3O2 |
|---|---|
| Molecular Weight | 265.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0851 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 31383-03-6 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)[N-]C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | FNOCHEBICJFHQL-UHFFFAOYSA-N |
Product Overview
Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide (CAS 31383-03-6), with molecular formula C15H11N3O2 and molecular weight 265.09 g/mol. IUPAC: isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide.
Chemical Property Profile of Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide
Property Insights of Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide
The XLogP value of 4.0 indicates that Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide?
The CAS number of Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide is 31383-03-6.
What is the molecular formula of Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide?
The molecular formula of Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide is C15H11N3O2.
What is the molecular weight of Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide?
The molecular weight of Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide is 265.09 g/mol.
Where can I buy Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide?
You can request a quote for Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-2-ium-2-yl-(3-nitrophenyl)azanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.